N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
Compound ID: | D349-3091 |
Compound Name: | N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline |
Molecular Weight: | 403.4 |
Molecular Formula: | C21 H17 N5 O4 |
Smiles: | COc1ccccc1CNc1ccc(cc1[N+]([O-])=O)c1nc(c2cccnc2)no1 |
Stereo: | ACHIRAL |
logP: | 4.0675 |
logD: | 4.0122 |
logSw: | -4.0676 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.41 |
InChI Key: | UQGBLYFVPJYIOY-UHFFFAOYSA-N |